4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile

C15H20N2O3 — CID 10356088

IUPAC4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
SMILESCOc1ccc(C#N)cc1OCCCN1CCOCC1
InChIInChI=1S/C15H20N2O3/c1-18-14-4-3-13(12-16)11-15(14)20-8-2-5-17-6-9-19-10-7-17/h3-4,11H,2,5-10H2,1H3
InChIKeyQHDDZVCFDZBTCM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds6

About 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile

4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile (PubChem CID 10356088) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile.

Molecular Properties

Compound Name4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
PubChem CID10356088
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
SMILESCOc1ccc(C#N)cc1OCCCN1CCOCC1
InChIInChI=1S/C15H20N2O3/c1-18-14-4-3-13(12-16)11-15(14)20-8-2-5-17-6-9-19-10-7-17/h3-4,11H,2,5-10H2,1H3
InChIKeyQHDDZVCFDZBTCM-UHFFFAOYSA-N
XLogP1.67
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
4-[3-[4-[3-(4-isocyano-2-methoxyphenoxy)propyl]piperazin-1-yl]propoxy]-3-methoxybenzonitrile
CID 58996563
4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile
CID 145493377
4-methoxy-2-(methylideneamino)-5-(3-morpholin-4-ylpropoxy)benzonitrile
CID 143013804
3-butoxy-4-methoxybenzonitrile
CID 147818177
4-[3-[4-[3-(4-cyano-2-fluorophenoxy)propyl]piperazin-1-yl]propoxy]-3-fluorobenzonitrile
CID 67135650
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-(2-morpholin-4-ylethoxy)-3-nitrobenzonitrile
CID 59313895
2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30532507
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile?
The IUPAC name of 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile (CID 10356088) is 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile.
What is the SMILES notation for 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile?
The canonical SMILES for 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile is COc1ccc(C#N)cc1OCCCN1CCOCC1.
What is the InChIKey of 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile?
The InChIKey is QHDDZVCFDZBTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-18-14-4-3-13(12-16)11-15(14)20-8-2-5-17-6-9-19-10-7-17/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile?
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile has a molecular weight of 276.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile is sourced from PubChem (CID 10356088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).